Atomistic simulation of the interaction between mobile edge dislocations and radiation-induced defects in Fe-Ni-Cr austenitic alloys

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  • PbPU - Peter the Great St.Petersburg Polytechnic University

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The classical molecular dynamics method is employed to simulate the interaction of edge dislocations with interstitial Frank loops (2 and 5 nm in diameter) in the Fe-Ni10-Cr20 model alloy at the temperatures T = 300-900 K. The examined Frank loops are typical extended radiation-induced defects in austenitic steels adapted to nuclear reactors, while the chosen triple alloy (Fe-Ni10-Cr20) has the alloying element concentration maximally resembling these steels. The dislocation-defect interaction mechanisms are ascertained and classified, and their comparison with the previously published data concerning screw dislocations is carried out. The detachment stress needed for a dislocation to overcome the defect acting as an obstacle is calculated depending on the material temperature, defect size, and interaction geometry. It is revealed that edge dislocations more efficiently absorb small loops than screw ones. It is demonstrated that, in the case of small loops, the number of reactions accompanied by loop absorption increases with temperature upon interaction with both edge and screw dislocations. It is established that Frank loops are stronger obstacles to the movement of screw dislocations than to the movement of edge ones.


Original languageEnglish
Pages (from-to)220-228
JournalJournal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques
Issue number2
Publication statusPublished - 2014


  • Atomistic simulations, Classical molecular dynamics, Edge and screw dislocations, Element concentrations, Interaction geometries, Interaction mechanisms, Material temperature, Radiation induced defects

ID: 3751611